4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-(2-pyridin-2-ylethyl)benzamide

C34H37N3O3 — CID 45488409

IUPAC4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-(2-pyridin-2-ylethyl)benzamide
SMILESCOc1cc(C(=O)NCCc2ccccn2)ccc1OC1CCN(CC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C34H37N3O3/c1-39-33-24-28(34(38)36-21-17-29-14-8-9-20-35-29)15-16-32(33)40-30-18-22-37(23-19-30)25-31(26-10-4-2-5-11-26)27-12-6-3-7-13-27/h2-16,20,24,30-31H,17-19,21-23,25H2,1H3,(H,36,38)
InChIKeyWPRZCZIROIWMFH-UHFFFAOYSA-N
MW535.69 g/mol
LogP5.74
Rot. Bonds11

About 4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-(2-pyridin-2-ylethyl)benzamide

4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-(2-pyridin-2-ylethyl)benzamide (PubChem CID 45488409) has the molecular formula C34H37N3O3 and a molecular weight of 535.69 g/mol. Its IUPAC name is 4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-(2-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-(2-pyridin-2-ylethyl)benzamide
PubChem CID45488409
Molecular FormulaC34H37N3O3
Molecular Weight535.69 g/mol
Exact Mass535.28
IUPAC Name4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-(2-pyridin-2-ylethyl)benzamide
SMILESCOc1cc(C(=O)NCCc2ccccn2)ccc1OC1CCN(CC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C34H37N3O3/c1-39-33-24-28(34(38)36-21-17-29-14-8-9-20-35-29)15-16-32(33)40-30-18-22-37(23-19-30)25-31(26-10-4-2-5-11-26)27-12-6-3-7-13-27/h2-16,20,24,30-31H,17-19,21-23,25H2,1H3,(H,36,38)
InChIKeyWPRZCZIROIWMFH-UHFFFAOYSA-N
XLogP5.74
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.69
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-(2-pyridin-2-ylethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-(2-pyridin-2-ylethyl)benzamide?
The IUPAC name of 4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-(2-pyridin-2-ylethyl)benzamide (CID 45488409) is 4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-(2-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for 4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-(2-pyridin-2-ylethyl)benzamide?
The canonical SMILES for 4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-(2-pyridin-2-ylethyl)benzamide is COc1cc(C(=O)NCCc2ccccn2)ccc1OC1CCN(CC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-(2-pyridin-2-ylethyl)benzamide?
The InChIKey is WPRZCZIROIWMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N3O3/c1-39-33-24-28(34(38)36-21-17-29-14-8-9-20-35-29)15-16-32(33)40-30-18-22-37(23-19-30)25-31(26-10-4-2-5-11-26)27-12-6-3-7-13-27/h2-16,20,24,30-31H,17-19,21-23,25H2,1H3,(H,36,38).
What are the key properties of 4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-(2-pyridin-2-ylethyl)benzamide?
4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-(2-pyridin-2-ylethyl)benzamide has a molecular weight of 535.69 g/mol, XLogP of 5.74, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-(2-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 45488409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).